- InChI
- InChI=1S/C8H15NO3/c1-6(2)4-7(10)9-5-8(11)12-3/h6H,4-5H2,1-3H3,(H,9,10)
- InChI Key
- SWOIBHOWNKRRFN-UHFFFAOYSA-N
- Formula
- C8H15NO3
- SMILES
- COC(=O)CNC(=O)CC(C)C
- Molecular Weight1
- 173.21
- CAS
- 56009-37-1
- Other Names
-
- Methyl N-isovalerylglycine
- N-Isovalerylglycine methyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -654.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.02 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 0.322 | Crippen Calculated Property | |
| McVol | 142.570 | ml/mol | McGowan Calculated Property |
| Pc | 2778.85 | kPa | Joback Calculated Property |
| Inp | 1346.40 | NIST | |
| Tboil | 490.41 | K | Relay (1.0) Calculated Property |
| Tc | 689.53 | K | Relay (1.0) Calculated Property |
| Tfus | 288.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [341.78; 407.60] | J/mol×K | [544.46; 732.11] | 
|
| Cp,gas | 341.78 | J/mol×K | 544.46 | Joback Calculated Property |
| Cp,gas | 354.20 | J/mol×K | 575.73 | Joback Calculated Property |
| Cp,gas | 366.04 | J/mol×K | 607.01 | Joback Calculated Property |
| Cp,gas | 377.30 | J/mol×K | 638.28 | Joback Calculated Property |
| Cp,gas | 387.97 | J/mol×K | 669.56 | Joback Calculated Property |
| Cp,gas | 398.07 | J/mol×K | 700.83 | Joback Calculated Property |
| Cp,gas | 407.60 | J/mol×K | 732.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(3-methyl-1-oxobutyl)-, methyl ester.
Sources
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